SCHEMBL18159974

SCHEMBL18159974

CCn1nc(C)c(C2CCCC2)c1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19592076 0.79 TSHR (0.33) NPSR1
SCHEMBL22151601 0.71 ADORA2A (0.42) ADORA2AADORA2BMAPT
SCHEMBL17045354 0.69 ADORA2A (0.35) ADORA2AADORA2BMEN1MAPTRAB9A
SCHEMBL13341968 0.68 MAPT (0.42) ADORA2AADORA2BMAPTNPSR1
SCHEMBL23400861 0.68 ADORA2A (0.41) ADORA2AADORA2B
SCHEMBL6107224 0.66 PLAT (0.41) ADORA2AADORA2BMEN1MAPTRAB9A
SCHEMBL18159972 0.66 MAPT (0.43) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL6103830 0.65 PLAT (0.40) ADORA2AADORA2B
SCHEMBL16809980 0.64 ARF6 (0.35)
SCHEMBL23502029 0.62

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815791-B2 Alkylpyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-11-14 US disclosed
US-20160304465-A1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304465-A1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME ADORA2A 313/4885ADORA2B 326/4885CCNE1 3304/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.